dimethyl-[(2R)-3-methyl-1-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonylamino]butan-2-yl]azanium Openeye Name: dimethyl-[(1R)-2-methyl-1-[[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]methyl]propyl]ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]amino]butan-2-yl]ammonium IUPAC Name: dimethyl-[(2R)-3-methyl-1-[[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]amino]butan-2-yl]azanium Traditional Name: [(1R)-1-[[[3-(3-ketopiperazino)sulfonylbenzoyl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)[NH+](C)C

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCNC(=O)C2)[NH+](C)C

InChI

InChI=1S/C18H28N4O4S/c1-13(2)16(21(3)4)11-20-18(24)14-6-5-7-15(10-14)27(25,26)22-9-8-19-17(23)12-22/h5-7,10,13,16H,8-9,11-12H2,1-4H3,(H,19,23)(H,20,24)/p+1/t16-/m0/s1